4-methyl-2-phenylpyridine

• ChemBase ID: 288439
• Molecular Formular: C12H11N
• Molecular Mass: 169.22244
• Monoisotopic Mass: 169.08914936
• SMILES: Cc1cc(c2ccccc2)ncc1
• Canonical SMILES: Cc1ccnc(c1)c1ccccc1
• InChI: InChI=1S/C12H11N/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-9H,1H3
• InChIKey: WWMRJCUZPJJWBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-phenylpyridine
• IUPAC Traditional name: 4-methyl-2-phenylpyridine
• Synonyms: 4-Methyl-2-phenylpyridine

Database IDs

• CAS Number: 3475-21-6
• PubChem SID: 180673970
• PubChem CID: 77026

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1352918
• LogD (pH = 7.4): 3.2994742
• Log P: 3.3020704
• Molar Refractivity: 53.7065 cm^3
• Polarizability: 22.304276 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%